S-p-Tolyl p-toluenethiosulfinate
TL;DR: S-p-Tolyl p-toluenethiosulfinate (CAS 6481-73-8) is a chemical compound with molecular formula C14H14OS2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-methylphenyl)sulfinylsulfanylbenzene
Also Known As: S-p-Tolyl p-toluenethiosulfinate, p-Tolyl(p-tolylsulfinyl) sulfide, S-p-Tolyl 4-Methylbenzenesulfinothioate, p-Toluenesulfinic acid, thio-, S-p-tolyl ester, p-Toluenesulfinic acid, S-p-tolyl ester
| Molecular Formula | C14H14OS2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0486 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6481-73-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SS(=O)C2=CC=C(C=C2)C |
| InChIKey | DYXUFWJNNVLBRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-p-Tolyl p-toluenethiosulfinate (CAS 6481-73-8), with molecular formula C14H14OS2 and molecular weight 262.05 g/mol. IUPAC: 1-methyl-4-(4-methylphenyl)sulfinylsulfanylbenzene.
Chemical Property Profile of S-p-Tolyl p-toluenethiosulfinate
Property Insights of S-p-Tolyl p-toluenethiosulfinate
The XLogP value of 3.9 indicates that S-p-Tolyl p-toluenethiosulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-p-Tolyl p-toluenethiosulfinate. Following Lipinski's Rule of Five, S-p-Tolyl p-toluenethiosulfinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-p-Tolyl p-toluenethiosulfinate?
The CAS number of S-p-Tolyl p-toluenethiosulfinate is 6481-73-8.
What is the molecular formula of S-p-Tolyl p-toluenethiosulfinate?
The molecular formula of S-p-Tolyl p-toluenethiosulfinate is C14H14OS2.
What is the molecular weight of S-p-Tolyl p-toluenethiosulfinate?
The molecular weight of S-p-Tolyl p-toluenethiosulfinate is 262.05 g/mol.
Where can I buy S-p-Tolyl p-toluenethiosulfinate?
You can request a quote for S-p-Tolyl p-toluenethiosulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-p-Tolyl p-toluenethiosulfinate?
Yes, KEHONG BIO provides custom synthesis services for S-p-Tolyl p-toluenethiosulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.